(2E)-2-Butenedinitrile

C4H2N2CAS 764-42-178.07 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C4H2N2
Molar mass
78.07 g/mol
Exact mass
78.0218 Da
Density
0.9416 g/mL (at 110.8 °C)
Melting point
96.8 °C
Boiling point
186 °C
Water solubility
< 1 g/L (21.1 °C)
logP
0.59Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P316, P304+P340, P316, P321, P330, P403+P233, P405, P501

Identifiers

CAS number
764-42-1
SMILES
N#C/C=C/C#N
InChIKey
KYPOHTVBFVELTG-OWOJBTEDSA-N
InChI
InChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • 2-Butenedinitrile, (2E)-
  • Fumaronitrile
  • 2-Butenedinitrile, (E)-
  • trans-Dicyanoethylene
  • Fumaric nitrile
  • trans-1,2-Dicyanoethylene
  • Fumarodinitrile
  • trans-1,2-Dicyanoethene
  • (E)-1,2-Dicyanoethylene
  • trans-Butenedinitrile
  • trans-Dicyanobutene
  • Fumaric dinitrile
  • NSC 17555
  • (E)-2-Butenedinitrile

Reactions

Work with (2E)-2-Butenedinitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Butenenitrile4786-20-357 % similar 4,4,4-Trifluoro-2-butenenitrile406-86-044 % similar 3-Methoxy-2-propenenitrile60838-50-844 % similar Acrylonitrile107-13-140 % similar Cinnamonitrile1885-38-740 % similar Polyacrylonitrile25014-41-940 % similar Cinnamonitrile4360-47-840 % similar (2E)-3-Cyclopentylprop-2-enenitrile591769-05-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook